CID 131458867

1864801-84-2

Structural Information

Molecular Formula
C12H19BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)N)N
InChI
InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(9(14)7-8)20(15,16)17/h5-7H,14H2,1-4H3,(H2,15,16,17)
InChIKey
VWVORVHBPHCYAK-UHFFFAOYSA-N
Compound name
2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.11584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12312 161.1
[M+Na]+ 321.10506 170.5
[M-H]- 297.10856 169.0
[M+NH4]+ 316.14966 179.5
[M+K]+ 337.07900 169.8
[M+H-H2O]+ 281.11310 157.5
[M+HCOO]- 343.11404 177.2
[M+CH3COO]- 357.12969 203.4
[M+Na-2H]- 319.09051 165.9
[M]+ 298.11529 164.2
[M]- 298.11639 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe